methyl 4-(pyrimidin-4-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(pyrimidin-4-ylsulfanylmethyl)benzoate Openeye Name: methyl 4-(pyrimidin-4-ylsulfanylmethyl)benzoate CAS Name: 4-[(4-pyrimidinylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(pyrimidin-4-ylsulfanylmethyl)benzoate Traditional Name: 4-[(4-pyrimidylthio)methyl]benzoic acid methyl ester Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC=NC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC=NC=C2

InChI

InChI=1S/C13H12N2O2S/c1-17-13(16)11-4-2-10(3-5-11)8-18-12-6-7-14-9-15-12/h2-7,9H,8H2,1H3